4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone

C27H23N5O2 — CID 167533534

IUPAC4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone
SMILESNc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12N4O.C13H11NO/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-8H,15-16H2;1-9H,14H2
InChIKeyAGZHORUWEUHOHD-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.07
Rot. Bonds4

About 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone

4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone (PubChem CID 167533534) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone
PubChem CID167533534
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone
SMILESNc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12N4O.C13H11NO/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-8H,15-16H2;1-9H,14H2
InChIKeyAGZHORUWEUHOHD-UHFFFAOYSA-N
XLogP5.07
TPSA134.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone?
The IUPAC name of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone (CID 167533534) is 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone.
What is the SMILES notation for 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone?
The canonical SMILES for 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone is Nc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone?
The InChIKey is AGZHORUWEUHOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O.C13H11NO/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-8H,15-16H2;1-9H,14H2.
What are the key properties of 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone?
4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone has a molecular weight of 449.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-1,3,4-oxadiazol-2-yl]aniline;(4-aminophenyl)-phenylmethanone is sourced from PubChem (CID 167533534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).